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2019-06-21comments removedtriples_data_entriesChristoph Helma
2019-06-21measurement added for single neighborsChristoph Helma
2019-06-21test_from_csv2 fixed, prefer merged_feature and transformed_feature in ↵Christoph Helma
to_training_csv
2019-06-20separate csv serialisations for batch predictions and training data, ↵Christoph Helma
repeated measurements in mutagenicity dataset fixed, daphnia import fixed, CENTRAL_MONGO_IP removed
2018-11-16confidence for prediction datasetshelma@in-silico.ch
2018-11-16minor test fixeshelma@in-silico.ch
2018-11-16real datasets for testing, test data cleanup, Daphnia import, upper and ↵helma@in-silico.ch
lower similarity thresholds
2018-11-14bad_request_error substituted with ArgumentErrorhelma@in-silico.ch
2018-11-14public model validation, updated documentationhelma@in-silico.ch
2018-11-13public dataset downloadhelma@in-silico.ch
2018-11-12Mutagenicity downloadhelma@in-silico.ch
2018-11-12PubChem classification downloadhelma@in-silico.ch
2018-11-06sdf export fixedhelma@in-silico.ch
2018-11-02warnings fixed, cleanuphelma@in-silico.ch
2018-10-31pubchem import for openrisknethelma@in-silico.ch
2018-10-30dataset mergehelma@in-silico.ch
2018-10-30tests fixedhelma@in-silico.ch
2018-10-30regression feature names fixedhelma@in-silico.ch
2018-10-29dataset predictions fixedhelma@in-silico.ch
2018-10-29dataset folds fixedhelma@in-silico.ch
2018-10-25dataset mergehelma@in-silico.ch
2018-10-24dataset tests fixedhelma@in-silico.ch
2018-10-24dataset mapfeature_classeshelma@in-silico.ch
2018-10-12validation statistic fixeshelma@in-silico.ch
2018-10-11initial dataset batch predictionhelma@in-silico.ch
2018-10-10dataset tests fixedhelma@in-silico.ch
2018-10-10compound name resolution from pubchem, chembl disabledhelma@in-silico.ch
2018-10-10more differentiated feature classeshelma@in-silico.ch
2018-10-09skip rf classification taskshelma@in-silico.ch
2018-10-09tentative random forest classification: hangs unpredictably during caret ↵mutanewhelma@in-silico.ch
model generation/optimization for some (inorganic?) compounds.
2018-10-07dataset merge with feature/value mapshelma@in-silico.ch
2018-10-05partial pubchem classification importhelma@in-silico.ch
2018-10-05sdf import, csv files with id columnhelma@in-silico.ch
2018-09-17smiles as identifier for sdf exporthelma@in-silico.ch
2018-09-06adjusted classification similarities, dataset sdf exporthelma@in-silico.ch
2018-08-14classification min_sim=0.5, 5 repeated cvshelma@in-silico.ch
2018-07-26add positive delog methodgebele
2018-04-27fixed version pathgebele
2018-04-27fixed version pathgebele
2018-04-26version bumpv1.1.2gebele
2018-04-26Merge branch 'development'gebele
2018-04-26add git or gem versioning to modelgebele
2018-04-03merge developmentv1.1.1gebele
2018-01-17unmuted enm import; mute cleanupgebele
2018-01-17removed libPath testgebele
2018-01-17changed assertion valuegebele
2018-01-17changed assertion valuegebele
2018-01-15added R packages testgebele
2018-01-15added R packages testgebele
2018-01-15muted enm importgebele